QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: bubble on March 2, 2016, 15:59

Title: Is it possible for ATK to calculate phonon local density of state?
Post by: bubble on March 2, 2016, 15:59

Hi
In the attament files, the first figure is phonon local density of state (PLDOS), the sencond is the corresponding formula.  Could the ATK calculate the PLDOS, or provide some scripts to calculate it?
Thank you very much.

Title: Re: Is it possible for ATK to calculate phonon local density of state?
Post by: Jess Wellendorff on March 4, 2016, 13:53

This is currently not possible with ATK. But we will consider it a nice request for ATK 2017.